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BDBM50035504 (S)-1-((S)-2-Benzoylamino-3-methyl-butyryl)-pyrrolidine-2-carboxylic acid (3,3,4,4,4-pentafluoro-1-isopropyl-2-oxo-butyl)-amide::CHEMBL140716

SMILES: CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F

InChI Key: InChIKey=MVLNSZDNXAOLPJ-RGBJRUIASA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50035504   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))		BDBM50035504
PNG
((S)-1-((S)-2-Benzoylamino-3-methyl-butyryl)-pyrrol...)
Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C24H30F5N3O4/c1-13(2)17(19(33)23(25,26)24(27,28)29)30-21(35)16-11-8-12-32(16)22(36)18(14(3)4)31-20(34)15-9-6-5-7-10-15/h5-7,9-10,13-14,16-18H,8,11-12H2,1-4H3,(H,30,35)(H,31,34)/t16-,17?,18-/m0/s1
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PubMed
 70n/an/an/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibition of human neutrophil elastase

J Med Chem 37: 4538-53 (1995)


BindingDB Entry DOI: 10.7270/Q28P615X
More data for this
Ligand-Target Pair